2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine

C15H29N3O — CID 116720667

IUPAC2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)C(OC)C(C)C
InChIInChI=1S/C15H29N3O/c1-6-8-16-14(15(19-5)12(3)4)13-10-17-18(11-13)9-7-2/h10-12,14-16H,6-9H2,1-5H3
InChIKeyLNJYGSWBJDSDME-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.00
Rot. Bonds9

About 2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine

2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine (PubChem CID 116720667) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
PubChem CID116720667
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)C(OC)C(C)C
InChIInChI=1S/C15H29N3O/c1-6-8-16-14(15(19-5)12(3)4)13-10-17-18(11-13)9-7-2/h10-12,14-16H,6-9H2,1-5H3
InChIKeyLNJYGSWBJDSDME-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
CID 105272039
N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 79496393
1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116719917
2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116726066
[2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
CID 105272379
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116724937
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 114661226
N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62731248
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105065275
N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 116773141
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine (CID 116720667) is 2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine is CCCNC(c1cnn(CCC)c1)C(OC)C(C)C.
What is the InChIKey of 2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The InChIKey is LNJYGSWBJDSDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-8-16-14(15(19-5)12(3)4)13-10-17-18(11-13)9-7-2/h10-12,14-16H,6-9H2,1-5H3.
What are the key properties of 2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 116720667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).